MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009017
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009017
RECORD_TITLE: DIETHYL MALEATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: DIETHYL MALEATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H12O4
CH$EXACT_MASS: 172.07356
CH$SMILES: CCOC(=O)C=CC(=O)OCC
CH$IUPAC: InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5-
CH$LINK: CAS
141-05-9
CH$LINK: INCHIKEY
IEPRKVQEAMIZSS-WAYWQWQTSA-N
CH$LINK: COMPTOX
DTXSID8020464
AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-002b-9400000000-1575d42a342b7e2bc810
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
26 4.06 41
27 7.88 79
28 2.44 24
29 11.38 114
31 2.24 22
32 1.02 10
43 2.06 21
45 5.44 54
53 2.13 21
54 8.34 83
55 4.67 47
71 3.66 37
72 1.5 15
82 6.47 65
99 99.99 999
100 10.35 104
125 1.07 11
126 17.13 171
127 33.25 333
128 8.27 83
143 3.69 37
//
system version 2.2.6-SNAPSHOT